2-[(4-pentoxyphenyl)methyl]oxirane

C14H20O2 — CID 173250908

IUPAC2-[(4-pentoxyphenyl)methyl]oxirane
SMILESCCCCCOc1ccc(CC2CO2)cc1
InChIInChI=1S/C14H20O2/c1-2-3-4-9-15-13-7-5-12(6-8-13)10-14-11-16-14/h5-8,14H,2-4,9-11H2,1H3
InChIKeyPNVPJALLALWZDJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.20
Rot. Bonds7

About 2-[(4-pentoxyphenyl)methyl]oxirane

2-[(4-pentoxyphenyl)methyl]oxirane (PubChem CID 173250908) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[(4-pentoxyphenyl)methyl]oxirane.

Molecular Properties

Compound Name2-[(4-pentoxyphenyl)methyl]oxirane
PubChem CID173250908
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-[(4-pentoxyphenyl)methyl]oxirane
SMILESCCCCCOc1ccc(CC2CO2)cc1
InChIInChI=1S/C14H20O2/c1-2-3-4-9-15-13-7-5-12(6-8-13)10-14-11-16-14/h5-8,14H,2-4,9-11H2,1H3
InChIKeyPNVPJALLALWZDJ-UHFFFAOYSA-N
XLogP3.20
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-pentoxyphenyl)ethyl]oxirane
CID 83932604
1,4-dipentoxybenzene
CID 18314717
2-[(4-decylphenoxy)methyl]oxirane
CID 57169854
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-butyl-5-(4-hexoxyphenyl)-1,4-dioxane
CID 57028242
1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 130438477
2-[[4-[2,2-bis(4-butoxyphenyl)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 118013692
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol
CID 82185858
2-[(4-pentoxyphenyl)methyl]cyclohexan-1-one
CID 82185917

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pentoxyphenyl)methyl]oxirane?
The IUPAC name of 2-[(4-pentoxyphenyl)methyl]oxirane (CID 173250908) is 2-[(4-pentoxyphenyl)methyl]oxirane.
What is the SMILES notation for 2-[(4-pentoxyphenyl)methyl]oxirane?
The canonical SMILES for 2-[(4-pentoxyphenyl)methyl]oxirane is CCCCCOc1ccc(CC2CO2)cc1.
What is the InChIKey of 2-[(4-pentoxyphenyl)methyl]oxirane?
The InChIKey is PNVPJALLALWZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-3-4-9-15-13-7-5-12(6-8-13)10-14-11-16-14/h5-8,14H,2-4,9-11H2,1H3.
What are the key properties of 2-[(4-pentoxyphenyl)methyl]oxirane?
2-[(4-pentoxyphenyl)methyl]oxirane has a molecular weight of 220.31 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pentoxyphenyl)methyl]oxirane is sourced from PubChem (CID 173250908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).